Geometry & MOs

Info

ID:

90645

PubChem CID:

49970886

Reduced:

BrO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

607.336984

ΔHf, kcal/mol:

-157.37

Dipole, Da:

5.43

IP(EA), eV:

 -8.85(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations